SCHEMBL16596200

SCHEMBL16596200

O=C(CCCCCOc1cccc(Br)c1)Nc1ccnc(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.53
CNR2 P34972 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.51
GAA P10253 2/20 0.51
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.48
HTT P42858 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
RAB9A P51151 2/20 0.47
EPHX2 P34913 1/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 1/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 1/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
EGFR P00533 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18328481 0.87 L3MBTL1 (0.56) CNR1CNR2L3MBTL1GAALMNA
SCHEMBL18328507 0.87 CNR1 (0.53) CNR1CNR2L3MBTL1GAALMNA
SCHEMBL18328514 0.87 L3MBTL1 (0.56) CNR1CNR2L3MBTL1GAALMNA
SCHEMBL18328515 0.87 L3MBTL1 (0.56) CNR1CNR2L3MBTL1GAALMNA
SCHEMBL16596199 0.86 L3MBTL1 (0.65) CNR1CNR2L3MBTL1GAALMNA
SCHEMBL18328513 0.86 L3MBTL1 (0.57) CNR1CNR2L3MBTL1GAALMNA
SCHEMBL18328455 0.85 MEN1 (0.53) LMNASMN1; SMN2TSHRMAPK1RAB9A
SCHEMBL18332927 0.85 LMNA (0.54) CNR1CNR2L3MBTL1GAALMNA
SCHEMBL16596198 0.85 LMNA (0.54) CNR1CNR2L3MBTL1GAALMNA
SCHEMBL16596340 0.85 LMNA (0.54) CNR1CNR2L3MBTL1GAALMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9751851-B2 Molecules and compositions that inhibit gram negative bacteria and their uses THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2017-09-05 US disclosed
US-9751851-B2 Molecules and compositions that inhibit gram negative bacteria and their uses THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2017-09-05 US disclosed
US-20160368892-A1 MOLECULES AND COMPOSITIONS THAT INHIBIT GRAM NEGATIVE BACTERIA AND THEIR USES THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2016-12-22 US disclosed
US-20160368892-A1 MOLECULES AND COMPOSITIONS THAT INHIBIT GRAM NEGATIVE BACTERIA AND THEIR USES THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2016-12-22 US disclosed
WO-2015042363-A1 MOLECULES AND COMPOSITIONS THAT INHIBIT GRAM NEGATIVE BACTERIA AND THEIR USES THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2015-03-26 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160368892-A1 MOLECULES AND COMPOSITIONS THAT INHIBIT GRAM NEGATIVE BACTERIA AND THEIR USES BLVRB, PGLS, GRHPR CNR1 1221/4885CNR2 1631/4885L3MBTL1 876/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.